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Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL868455

Cn1cnc([N+](=O)[O-])c1C[N+](C)(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1.[Br-]

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 known ✓ P08172 1/20 0.67
▸ EGFR P00533 20/20 0.67
▸ ERBB2 P04626 7/20 0.67
▸ GAK O14976 2/20 0.67
▸ ABL1 P00519 2/20 0.67
▸ LCK P06239 2/20 0.67
▸ MET P08581 2/20 0.67
▸ PHKG2 P15735 2/20 0.67
▸ BLK P51451 2/20 0.67
▸ IRAK1 P51617 2/20 0.67
▸ DYRK1A Q13627 2/20 0.67
▸ ERBB4 Q15303 2/20 0.67
▸ HIPK4 Q8NE63 2/20 0.67
▸ EPHA6 Q9UF33 2/20 0.67
▸ CIT O14578 1/20 0.67
▸ EPHB6 O15197 1/20 0.67
▸ RIPK2 O43353 1/20 0.67
▸ STK10 O94804 1/20 0.67
▸ LYN P07948 1/20 0.67
▸ RET P07949 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17503015 1.00 EGFR (0.67) EGFRERBB2GAKABL1LCK
Trifluoroacetic Acid SCHEMBL868626 0.97 EGFR (0.64) EGFRERBB2GAKABL1LCK
SCHEMBL17503009 0.90 EGFR (0.63) EGFRERBB2GAKLCKERBB4
Bromide SCHEMBL868424 0.90 EGFR (0.63) EGFRERBB2GAKLCKERBB4
SCHEMBL17412655 0.89 EGFR (0.68) EGFRERBB2GAKABL1LCK
SCHEMBL18162786 0.86 EGFR (0.81) EGFRERBB2GAKABL1LCK
SCHEMBL29779432 0.86 EGFR (0.81) EGFRERBB2GAKABL1LCK
SCHEMBL17826933 0.84 EGFR (0.68) EGFRERBB2GAKABL1LCK
SCHEMBL17448813 0.82 EGFR (0.86) EGFRERBB2GAKABL1LCK
SCHEMBL28418910 0.82 EGFR (0.89) EGFRERBB2GAKABL1LCK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031807-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY Auckland UniServices Limited (NZ) 2016-06-15 — — EP disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 — — US disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 — — US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K CHRM2 1318/4885EGFR 48/4885ERBB2 7/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K CHRM2 1248/4885EGFR 41/4885ERBB2 7/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.